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Chemical ID: 4119726
Chemical ID:
4119726
Name [?]:
1-methyl-5-oxo-pyrrolidine-3-carboxylic acid
SMILES [?]:
CN1CC(CC1=O)C(=O)O
InChi [?]:
InChI=1/C6H9NO3/c1-7-3-4(6(9)10)2-5(7)8/h4H,2-3H2,1H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,5,3,4,6,8,2,7,9,10/E:(9,10)/rA:10cCNCCCCOCOO/rB:s1;s2;s3;s4;s2s5;d6;s4;d8;s8;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H9NO3 |
All Atoms: | 10 |
Heavy Atoms: | 10 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.5366 |
Area: | 294.755 |
Solvation: | -2.83228 |
Coulombic: | -39.7913 |
Bond Count [?]
All: | 10 |
Single: | 8 |
Double: | 2 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 143.141 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | -1.12 |
LogP (Chemaxon): | -0.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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